# # ChangeLog for molecuilder/src/Actions/AtomsCalculation_impl.hpp # # Generated by Trac 1.6 # Sep 7, 2025, 5:31:28 PM Wed, 17 Mar 2010 15:19:56 GMT Tillmann Crueger [5738177] * molecuilder/src/Actions/AtomsCalculation_impl.hpp (modified) * molecuilder/src/Actions/ManipulateAtomsProcess.cpp (modified) * molecuilder/src/Actions/ManipulateAtomsProcess.hpp (modified) * molecuilder/src/Descriptors/AtomDescriptor.hpp (modified) * molecuilder/src/Descriptors/DescriptorBase.hpp (added) * molecuilder/src/Descriptors/DescriptorBase_impl.hpp (added) * molecuilder/src/Descriptors/MoleculeDescriptor.hpp (modified) * molecuilder/src/Descriptors/SelectiveIterator.hpp (added) * molecuilder/src/Descriptors/SelectiveIterator_impl.hpp (added) * molecuilder/src/Makefile.am (modified) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/WorldIterators.cpp (deleted) * molecuilder/src/helpers.hpp (modified) * molecuilder/src/unittests/AtomDescriptorTest.cpp (modified) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/atomsCalculationTest.cpp (modified) * molecuilder/src/unittests/manipulateAtomsTest.cpp (modified) Added a generic Iterator that can be used to iterate only over ... Fri, 12 Mar 2010 13:16:01 GMT Tillmann Crueger [5dba7a] * molecuilder/src/Actions/AtomsCalculation_impl.hpp (modified) * molecuilder/src/Actions/Calculation_impl.hpp (modified) * molecuilder/src/Descriptors/AtomTypeDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomTypeDescriptor.hpp (modified) * molecuilder/src/Descriptors/AtomTypeDescriptor_impl.hpp (modified) * molecuilder/src/Legacy/oldmenu.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/atom.hpp (modified) * molecuilder/src/atom_atominfo.cpp (modified) * molecuilder/src/atom_atominfo.hpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/defs.hpp (modified) * molecuilder/src/element.cpp (modified) * molecuilder/src/element.hpp (modified) * molecuilder/src/leastsquaremin.hpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/periodentafel.cpp (modified) * molecuilder/src/periodentafel.hpp (modified) * molecuilder/src/types.hpp (added) * molecuilder/src/unittests/AtomDescriptorTest.hpp (modified) * molecuilder/src/unittests/CacheableTest.cpp (modified) * molecuilder/src/unittests/MoleculeDescriptorTest.hpp (modified) * molecuilder/src/unittests/analysisbondsunittest.cpp (modified) * molecuilder/src/unittests/atomsCalculationTest.cpp (modified) * molecuilder/src/unittests/atomsCalculationTest.hpp (modified) * molecuilder/src/unittests/bondgraphunittest.cpp (modified) Made the periodentafel use STL-containers instead of custom llists Wed, 10 Mar 2010 17:51:48 GMT Tillmann Crueger [4c60ef] * molecuilder/src/Actions/AtomsCalculation_impl.hpp (modified) * molecuilder/src/Actions/ManipulateAtomsProcess.cpp (modified) * molecuilder/src/Descriptors/AtomDescriptor.cpp (modified) * molecuilder/src/Descriptors/AtomTypeDescriptor.cpp (modified) * molecuilder/src/Descriptors/MoleculeDescriptor.cpp (modified) * molecuilder/src/Legacy/oldmenu.cpp (modified) * molecuilder/src/Patterns/Singleton.hpp (added) * molecuilder/src/Patterns/Singleton_impl.hpp (added) * molecuilder/src/World.cpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/WorldIterators.cpp (modified) * molecuilder/src/atom.cpp (modified) * molecuilder/src/atom_atominfo.cpp (modified) * molecuilder/src/boundary.cpp (modified) * molecuilder/src/builder.cpp (modified) * molecuilder/src/config.cpp (modified) * molecuilder/src/defs.hpp (modified) * molecuilder/src/molecule.cpp (modified) * molecuilder/src/molecule_dynamics.cpp (modified) * molecuilder/src/molecule_fragmentation.cpp (modified) * molecuilder/src/moleculelist.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) * molecuilder/src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) * molecuilder/src/unittests/AtomDescriptorTest.cpp (modified) * molecuilder/src/unittests/MoleculeDescriptorTest.cpp (modified) * molecuilder/src/unittests/analysisbondsunittest.cpp (modified) * molecuilder/src/unittests/atomsCalculationTest.cpp (modified) * molecuilder/src/unittests/bondgraphunittest.cpp (modified) * molecuilder/src/unittests/listofbondsunittest.cpp (modified) * molecuilder/src/unittests/manipulateAtomsTest.cpp (modified) Added generic singleton Pattern that can be inherited to any class ... Fri, 19 Feb 2010 14:31:56 GMT Tillmann Crueger [01d28a] * molecuilder/src/Actions/AtomsCalculation.hpp (added) * molecuilder/src/Actions/AtomsCalculation_impl.hpp (added) * molecuilder/src/Actions/Calculation.hpp (modified) * molecuilder/src/Actions/Calculation_impl.hpp (modified) * molecuilder/src/World.hpp (modified) * molecuilder/src/World_calculations.hpp (added) * molecuilder/src/unittests/Makefile.am (modified) * molecuilder/src/unittests/atomsCalculationTest.cpp (added) * molecuilder/src/unittests/atomsCalculationTest.hpp (added) * molecuilder/src/unittests/manipulateAtomsTest.cpp (modified) Added templates that allow arbitrary calculations on atoms to be ...